Cadisegliatin

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H33N3O4S2
Molecular Weight	455.634
Optical Activity	NONE
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCO[C@H]1CC[C@@H](CC1)N(C2CCCCC2)C(=O)NC3=NC=C(SCC(O)=O)S3

InChI

InChIKey=HPGJSAAUJGAMLV-QAQDUYKDSA-N

InChI=1S/C21H33N3O4S2/c1-2-12-28-17-10-8-16(9-11-17)24(15-6-4-3-5-7-15)21(27)23-20-22-13-19(30-20)29-14-18(25)26/h13,15-17H,2-12,14H2,1H3,(H,25,26)(H,22,23,27)/t16-,17-

HIDE SMILES / InChI

Molecular Formula	C21H33N3O4S2
Molecular Weight	455.634
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:32:02 GMT 2023` Edited by `admin` on `Sat Dec 16 10:32:02 GMT 2023`
Record UNII	98S8SH8UNF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cadisegliatin

Official Name

English

[(2-{[cyclohexyl(trans-4-propoxycyclohexyl)carbamoyl]amino}-1,3-thiazol-5-yl)sulfanyl]acetic acid

Systematic Name

English

Acetic acid, 2-[[2-[[[cyclohexyl(trans-4-propoxycyclohexyl)amino]carbonyl]amino]-5-thiazolyl]thio]-

Systematic Name

English

CADISEGLIATIN [USAN]

Common Name

English

NNC 80-3315

Code

English

TTP399

Code

English

cadisegliatin [INN]

Common Name

English

NN-9108

Code

English

2-((2-(3-cyclohexyl-3-((1r,4r)-4-propoxycyclohexyl)ureido)thiazol-5-yl)thio)acetic acid

Systematic Name

English

NN9108

Code

English

NNC 0080-0000-3315

Code

English

TTP-399

Code

English

TTP-00223399

Code

English

Code System Code Type Description

CAS

859525-02-3